| SpectraBase Spectrum ID |
EaKApMHXaLD |
| Name |
Phenylalanine, N-[(phenylmethoxy)carbonyl]-.beta.-2-propynyl-, ethyl ester, threo- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.162708221 u |
| Formula |
C22H23NO4 |
| InChI |
InChI=1S/C22H23NO4/c1-3-11-19(18-14-9-6-10-15-18)20(21(24)26-4-2)23-22(25)27-16-17-12-7-5-8-13-17/h1,5-10,12-15,19-20H,4,11,16H2,2H3,(H,23,25)/t19-,20-/m1/s1 |
| InChIKey |
DOKDHUHUCXDHCA-WOJBJXKFSA-N |
| Molecular Weight |
365.429 g/mol |
| SMILES |
[C@@](NC(=O)OCC1=CC=CC=C1)(C(=O)OCC)([C@@](C=1C=CC=CC1)(CC#C)[H])[H] |